Basic information
- CAS
1759-58-6- Standard SMILES
C[C@@H]1CC[C@@H](C)C1- InChIKey
XAZKFISIRYLAEE-RNFRBKRXSA-N- Molecular formula
- C7H14
- Average molar mass
- 98.19 g/mol
- Monoisotopic mass
- 98.10955045
Names & identifiers
- Preferred name
- trans-1,3-Dimethylcyclopentane
- IUPAC
- trans-(1R,3R)-1,3-dimethylcyclopentane
- English name
- 1,3-trans-Dimethylcyclopentane
- Molecular formula
- C7H14
- Molecular weight
- 98.19
Names & synonyms
trans-1,3-Dimethylcyclopentane1759-58-6(1R,3R)-1,3-dimethylcyclopentane1,trans-3-DimethylcyclopentaneCyclopentane, 1,3-dimethyl-, trans-Cyclopentane, 1,3-dimethyl-, (1R,3R)-rel-1,3-Dimethylcyclopentane, transEINECS 217-163-0NSC 74148Cyclopentane, 1,3-Dimethyl-, (E)-t-1,3-dimethylcyclopentane930-58-5
Show more names
1,3-trans-Dimethylcyclopentanecyclopentane,1,trans-3-dimethyl-trans-1,3-Dimethylcyclopentane (~70%)
SCHEMBL598517SCHEMBL5573364Cyclopentane,3-dimethyl-, trans-DTXSID501015839NSC74148NSC-74148AKOS022181277(1r)-trans-1,3-dimethyl-cyclopentane
Database identifiers
- CAS
1759-58-6- PubChem CID
- 15656
- DTXSID
DTXSID501015839- EC Number
- 217-163-0
- Nikkaji
- J238.599F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 49.1
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesOptical coefficient
Vapor Pressure65.8 [mmHg]
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -133.97 °C · -133.97°C
- Boiling point
- 90.85 °C · 90.85°C
- Density
- 0.744 · 0.7440
- refractive index
- 1.4081 · 1.4081
- Henry's Law Constant
- 2.2 · 2.2×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- EPA Substance Registry System
- -1 · trans-1,3-Dimethylcyclopentane (1759-58-6)
- Symbol(GHS)
- 7 · GHS07,GHS02,GHS08
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 6.2% (3 of 48) of reports.
Danger
H224 (12.5%): Extremely flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards Summary
An irritant; Inhalation may cause drowsiness and dizziness; An aspiration hazard by ingestion (may cause lung injury); May cause allergic reactions in sensitive individuals; Harmful by ingestion; [Sigma-Aldrich MSDS] Search for (1759-58-6[EC/RN Number]) AND (allergic OR sensitizer OR sensitization OR dermatitis): no results; [PubMed] See cis-1,3-Dimethylcyclopentane.
Hazard Classes and CategoriesFlam. Liq. 1 (12.5%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02,GHS08
- Hazard statements
- H335-H319-H315-H304-H225-H336-H302
Chemistry & industry
Applications
Usestrans-1,3-Dimethylcyclopentane was one of the products after the biodegradation of crude oil.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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